Information card for entry 7203088

Structure parameters

• Formula: C84 H92 Co6 N32 O28
• Calculated formula: C84 H92 Co6 N32 O28
• Title of publication: Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands
• Authors of publication: Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1084
• a: 10.473 ± 0.002 Å
• b: 17.597 ± 0.004 Å
• c: 14.503 ± 0.003 Å
• α: 90°
• β: 106.452 ± 0.003°
• γ: 90°
• Cell volume: 2563.4 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No